G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 172.502 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Consistent N Shift Assignments>> N :: 120.816 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> S28 C Shift Assignments>> C :: 174.827 CA :: 62.187 CB :: 70.228 CG2 :: 21.975 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.079 HA :: 4.409 HB :: 4.315 HG2 :: 1.261 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.099 Ave N Shift Values>> N :: 115.7(5.05) E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 M 0.12 I 0.05 K 0.03 Q 0.01 C Shift Assignments>> C :: 176.539 CA :: 56.957 CB :: 30.839 CG :: 36.649 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.421 HA :: 4.397 HB2 :: 2.042 HB3 :: 2.153 HG2 :: 2.356 HG3 :: 2.356 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.225 Ave N Shift Values>> N :: 120.68(3.68) A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.24 C 0.03 L 0.01 C Shift Assignments>> C :: 178.183 CA :: 53.085 CB :: 19.513 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.397 HA :: 4.409 HB :: 1.484 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.285 Ave N Shift Values>> N :: 123.23(3.7) S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.253 CA :: 58.693 CB :: 64.613 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.299 HA :: 4.549 HB2 :: 3.952 HB3 :: 4.047 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.822 Ave N Shift Values>> N :: 116.3(3.95) S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.267 CA :: 59.200 CB :: 64.253 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.494 HA :: 4.593 HB2 :: 3.946 HB3 :: 4.085 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.979 Ave N Shift Values>> N :: 116.3(3.95) L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.3 R 0.12 A 0.01 C Shift Assignments>> C :: 176.813 CA :: 55.939 CB :: 41.868 CG :: 27.366 CD1 :: 25.938 CD2 :: 23.368 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.502 HA :: 4.467 HB2 :: 1.902 HB3 :: 1.990 HG :: 1.815 HD1 :: 1.028 HD2 :: 0.894 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.636 Ave N Shift Values>> N :: 121.98(4.07) V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 176.376 CA :: 61.322 CB :: 33.542 CG1 :: 21.374 CG2 :: 20.842 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.615 HA :: 4.905 HB :: 2.075 HG1 :: 0.917 HG2 :: 0.969 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.354 Ave N Shift Values>> N :: 121.02(4.96) G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 170.561 CA :: 44.632 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.071 HA2 :: 4.267 HA3 :: 3.367 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.948 Ave N Shift Values>> N :: 109.91(4.29) K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.29 K 0.16 G 0.03 M 0.02 C Shift Assignments>> C :: 175.571 CA :: 54.694 CB :: 36.934 CG :: 24.627 CD :: 29.937 CE :: 42.505 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.949 HA :: 5.174 HB2 :: 1.734 HB3 :: 1.651 HG3 :: 1.295 HD2 :: 1.648 HD3 :: 1.648 HE2 :: 2.941 HE3 :: 2.941 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.972 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 G 0.22 L 0.12 HN Overlap>> D55 T96 C Shift Assignments>> C :: 174.429 CA :: 55.374 CB :: 47.213 CG :: 27.640 CD2 :: 25.337 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.589 HA :: 4.784 HB2 :: 1.632 HB3 :: 1.800 HG :: 1.623 HD1 :: 0.883 HD2 :: 1.043 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.104 Ave N Shift Values>> N :: 121.98(4.07) E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 M 0.15 E 0.13 C Shift Assignments>> C :: 175.658 CA :: 54.783 CB :: 33.455 CG :: 37.276 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.563 HA :: 5.644 HB2 :: 2.063 HB3 :: 2.215 HG2 :: 2.405 HG3 :: 2.508 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.318 Ave N Shift Values>> N :: 120.68(3.68) T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 170.637 CA :: 61.847 CB :: 69.552 CG2 :: 19.226 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.413 HA :: 4.724 HB :: 4.149 HG2 :: 1.005 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.223 Ave N Shift Values>> N :: 115.7(5.05) D22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.48 L 0.22 C 0.12 R 0.1 D 0.03 F 0.01 C Shift Assignments>> C :: 175.917 CA :: 53.689 CB :: 44.689 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.030 HA :: 6.092(S) HB2 :: 2.464 HB3 :: 2.668 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.483 Ave N Shift Values>> N :: 120.73(4.2) V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.39 I 0.01 C Shift Assignments>> C :: 174.981 CA :: 61.668 CB :: 36.446 CG1 :: 22.777 CG2 :: 21.867 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.316 HA :: 4.455 HB :: 2.209 HG1 :: 1.185 HG2 :: 0.864 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.294 Ave N Shift Values>> N :: 121.02(4.96) E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.37 M 0.09 I 0.07 K 0.01 C Shift Assignments>> C :: 176.504 CA :: 56.938 CB :: 31.041 CG :: 37.363 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.875 HA :: 4.987 HB2 :: 2.051 HB3 :: 2.051 HG2 :: 2.204 HG3 :: 2.434 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 128.328 Ave N Shift Values>> N :: 120.68(3.68) I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 176.008 CA :: 60.321 CB :: 41.220 CG1 :: 25.690 CG2 :: 17.991 CD1 :: 12.747 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.942 HA :: 4.782 HB :: 2.103 HG2 :: 0.893 HG12 :: 0.767 HG13 :: 1.440 HD1 :: 0.687 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.899 Ave N Shift Values>> N :: 121.6(4.72) K26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.36 K 0.34 R 0.25 G 0.01 C Shift Assignments>> C :: 179.248 CA :: 59.018 CB :: 33.474 CG :: 25.690 CD :: 29.249 CE :: 42.515 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 10.588(S) HA :: 4.265 HB2 :: 1.888 HB3 :: 2.189 HG2 :: 1.525 HG3 :: 1.661 HD2 :: 1.788 HD3 :: 1.788 HE2 :: 3.090 HE3 :: 3.090 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.366 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.22 L 0.09 C 0.06 C Shift Assignments>> C :: 176.917 CA :: 52.826 CB :: 20.907 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.690 HA :: 4.170 HB :: 1.502 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.081 Ave N Shift Values>> N :: 123.23(3.7) S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> T10 C Shift Assignments>> CA :: 57.722 CB :: 65.158 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.994 HA :: 4.428 HB2 :: 4.355 HB3 :: 4.120 HG :: 5.207 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.072 Ave N Shift Values>> N :: 116.3(3.95) A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.31 I 0.05 C 0.03 C Shift Assignments>> C :: 179.868 CA :: 55.432 CB :: 17.993 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.169 HA :: 3.889 HB :: 1.325 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.105 Ave N Shift Values>> N :: 123.23(3.7) D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.17 C 0.15 D 0.14 L 0.13 K 0.1 N 0.03 I 0.03 R 0.01 C Shift Assignments>> C :: 178.560 CA :: 56.660 CB :: 40.508 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.437 HA :: 4.490 HB2 :: 2.732 HB3 :: 2.677 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.106 Ave N Shift Values>> N :: 120.73(4.2) K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.36 R 0.24 G 0.01 M 0.01 HN Overlap>> K156 C Shift Assignments>> C :: 179.077 CA :: 58.589 CB :: 32.461 CG :: 25.653 CD :: 28.925 CE :: 42.515 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.754 HA :: 4.047 HB2 :: 1.971 HB3 :: 2.102 HG2 :: 1.585 HG3 :: 1.585 HD2 :: 1.757 HD3 :: 1.757 HE2 :: 3.114 HE3 :: 3.114 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.147 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.38 C 0.22 HN Overlap>> A87 C Shift Assignments>> C :: 176.578 CA :: 61.756 CB :: 39.124 CD1 :: 131.927 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.663 HA :: 4.022 HB2 :: 2.902 HB3 :: 3.296 HD1 :: 7.138 HD2 :: 7.138 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.465 Ave N Shift Values>> N :: 120.69(4.18) H33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.13 I 0.13 E 0.12 K 0.11 Q 0.1 H 0.09 R 0.08 V 0.01 M 0.01 L 0.01 C Shift Assignments>> C :: 177.412 CA :: 59.291 CB :: 28.925 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.397 HA :: 3.899 HB2 :: 3.457 HB3 :: 3.756 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.534 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.36 H 0.33 C 0.29 HN Overlap>> Y108 C Shift Assignments>> C :: 177.363 CA :: 58.046 CB :: 29.572 CD2 :: 120.332 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.832 HA :: 4.414 HB2 :: 3.300 HB3 :: 3.300 HD2 :: 7.224 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.682 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) M35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.25 M 0.18 R 0.12 Q 0.1 E 0.01 C Shift Assignments>> C :: 177.051 CA :: 57.343 CB :: 30.000 CG :: 31.745 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.751 HA :: 4.005 HB2 :: 2.141 HB3 :: 2.063 HG2 :: 2.337 HG3 :: 2.011 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.110 Ave N Shift Values>> N :: 120.1(3.88) F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 C 0.31 F 0.26 C Shift Assignments>> C :: 175.596 CA :: 58.407 CB :: 39.279 CD1 :: 131.789 CZ :: 131.776 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.111 HA :: 4.454 HB2 :: 2.669 HB3 :: 3.218 HD1 :: 7.196 HD2 :: 7.196 HZ :: 7.228 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.153 Ave N Shift Values>> N :: 120.69(4.18) A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.22 C 0.03 L 0.02 C Shift Assignments>> C :: 177.816 CA :: 52.866 CB :: 19.837 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.461 HA :: 4.405 HB :: 1.388 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.164 Ave N Shift Values>> N :: 123.23(3.7) G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 173.801 CA :: 45.427 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.106 HA3 :: 3.983 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.301 Ave N Shift Values>> N :: 109.91(4.29) K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.34 K 0.19 G 0.02 C Shift Assignments>> C :: 174.830 CA :: 54.385 CB :: 32.913 CG :: 27.631 CD :: 28.320 CE :: 42.477 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.234 HA :: 4.602 HB2 :: 1.671 HB3 :: 1.671 HG2 :: 1.774 HG3 :: 1.774 HD2 :: 1.432 HD3 :: 1.432 HE2 :: 3.045 HE3 :: 3.045 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.485 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 177.016 CA :: 63.528 CB :: 32.290 CG :: 27.954 CD :: 50.685 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.441 HB2 :: 2.272 HB3 :: 1.803 HG2 :: 2.028 HG3 :: 2.028 HD2 :: 3.625 HD3 :: 3.788 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) H41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 W 0.34 C 0.29 C Shift Assignments>> C :: 174.909 CA :: 56.302 CB :: 30.501 CD2 :: 120.141 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.510 HA :: 4.687 HB3 :: 3.158 HD2 :: 7.110 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.398 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.34 W 0.33 C 0.31 C Shift Assignments>> C :: 175.087 CA :: 56.507 CB :: 31.060 CD2 :: 119.882 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.315 HA :: 4.663 HB2 :: 3.050 HB3 :: 3.050 HD2 :: 6.970 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 123.626 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 HN Overlap>> Q116 C Shift Assignments>> C :: 175.406 CA :: 62.576 CB :: 33.135 CG1 :: 20.754 CG2 :: 21.368 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.153 HA :: 4.202 HB :: 2.102 HG1 :: 1.037 HG2 :: 0.935 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.963 Ave N Shift Values>> N :: 121.02(4.96) S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.883 CA :: 58.651 CB :: 64.552 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.486 HA :: 4.556 HB2 :: 3.971 HB3 :: 3.971 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.558 Ave N Shift Values>> N :: 116.3(3.95) K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.35 R 0.23 M 0.02 G 0.01 C Shift Assignments>> C :: 176.301 CA :: 56.570 CB :: 33.407 CG :: 25.075 CD :: 29.509 CE :: 42.505 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.430 HA :: 4.404 HB2 :: 1.813 HB3 :: 1.922 HG2 :: 1.472 HG3 :: 1.538 HD2 :: 1.715 HD3 :: 1.715 HE2 :: 3.096 HE3 :: 3.096 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.747 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.23 C 0.03 L 0.02 C Shift Assignments>> C :: 177.529 CA :: 53.011 CB :: 19.961 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.307 HA :: 4.404 HB :: 1.435 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.670 Ave N Shift Values>> N :: 123.23(3.7) S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.031 CA :: 56.672 CB :: 63.778 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.234 HA :: 4.833 HB3 :: 3.935 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.467 Ave N Shift Values>> N :: 116.3(3.95) P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.742 CA :: 64.179 CB :: 32.258 CG :: 27.795 CD :: 50.974 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.494 HB2 :: 2.365 HB3 :: 2.009 HG2 :: 2.078 HG3 :: 2.078 HD2 :: 3.852 HD3 :: 3.789 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.098 CA :: 45.641 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.470 HA3 :: 3.989 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.773 Ave N Shift Values>> N :: 109.91(4.29) N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.23 C 0.14 Y 0.09 F 0.08 L 0.06 C Shift Assignments>> C :: 175.408 CA :: 53.588 CB :: 39.284 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.256 HA :: 4.812 HB2 :: 2.828 HB3 :: 2.926 HD21 :: 6.955 HD22 :: 7.626 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.822 ND2 :: 112.828 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 176.313 CA :: 61.653 CB :: 38.997 CG1 :: 27.568 CG2 :: 17.941 CD1 :: 13.423 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.128 HA :: 4.257 HB :: 1.922 HG2 :: 0.925 HG12 :: 1.217 HG13 :: 1.500 HD1 :: 0.882 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.843 Ave N Shift Values>> N :: 121.6(4.72) Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Q 0.24 K 0.17 E 0.16 M 0.13 R 0.01 C Shift Assignments>> C :: 176.421 CA :: 56.312 CB :: 30.096 CG :: 34.221 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.502 HA :: 4.453 HB2 :: 2.054 HB3 :: 2.145 HG2 :: 2.419 HG3 :: 2.419 HE21 :: 6.888 HE22 :: 7.583 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.947 NE2 :: 112.306 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.06 C Shift Assignments>> C :: 174.040 CA :: 46.172 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.494 HA3 :: 4.098 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.379 Ave N Shift Values>> N :: 109.91(4.29) C54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 K 0.13 E 0.12 C 0.12 Q 0.12 H 0.1 R 0.09 I 0.08 M 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 174.053 CA :: 58.429 CB :: 28.873 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.261 HA :: 4.646 HB2 :: 2.910 HB3 :: 2.910 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.608 Ave N Shift Values>> N :: 119.95(4.79) D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 N 0.1 L 0.1 A 0.09 M 0.08 H 0.07 C 0.06 Q 0.05 R 0.05 K 0.05 W 0.03 Y 0.03 E 0.03 F 0.02 HN Overlap>> L19 T96 C Shift Assignments>> CA :: 54.462 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.614 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.104 Ave N Shift Values>> N :: 120.73(4.2) L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.55 C 0.29 R 0.11 G 0.01 C Shift Assignments>> CA :: 55.457 CB :: 42.191 CG :: 27.640 CD1 :: 25.042 CD2 :: 24.072 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> HA :: 4.373 HB2 :: 1.547 HB3 :: 1.547 HG :: 1.622 HD1 :: 0.780 HD2 :: 0.736 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) H57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.17 K 0.17 H 0.12 I 0.11 W 0.1 E 0.1 C 0.08 R 0.06 P 0.02 L 0.01 M 0.01 C Shift Assignments>> CB :: 28.925 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HB2 :: 2.824 HB3 :: 3.505 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.4 E 0.38 M 0.11 I 0.06 K 0.02 C Shift Assignments>> C :: 176.972 CA :: 57.276 CB :: 31.109 CG :: 36.935 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> HA :: 4.447 HB2 :: 1.966 HB3 :: 2.127 HG2 :: 2.354 HG3 :: 2.354 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 173.836 CA :: 45.752 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.465 HA3 :: 4.027 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.779 Ave N Shift Values>> N :: 109.91(4.29) D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 N 0.21 C 0.16 Y 0.14 F 0.13 L 0.07 I 0.01 E 0.01 K 0.01 C Shift Assignments>> C :: 176.854 CA :: 54.788 CB :: 39.419 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.337 HA :: 4.619 HB2 :: 2.005 HB3 :: 2.005 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.893 Ave N Shift Values>> N :: 120.73(4.2) W61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 175.297 CD1 :: 125.314 CZ2 :: 114.350 CH2 :: 123.403 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.654 HD1 :: 7.223 HE1 :: 10.309 HZ2 :: 7.464 HH2 :: 7.077 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> NE1 :: 128.470 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 174.723 CA :: 46.102 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.087 HA2 :: 4.395 HA3 :: 3.906 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.481 Ave N Shift Values>> N :: 109.91(4.29) T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.811 CA :: 61.792 CB :: 70.498 CG2 :: 21.797 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.651 HA :: 4.569 HB :: 4.057 HG2 :: 1.264 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.330 Ave N Shift Values>> N :: 115.7(5.05) V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 176.944 CA :: 65.596 CB :: 31.987 CG1 :: 21.517 CG2 :: 23.488 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.720 HA :: 3.387 HB :: 2.026 HG1 :: 0.987 HG2 :: 1.049 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.243 Ave N Shift Values>> N :: 121.02(4.96) G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 174.590 CA :: 44.790 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.414 HA2 :: 4.539 HA3 :: 3.545 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.079 Ave N Shift Values>> N :: 109.91(4.29) S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C Shift Assignments>> C :: 172.262 CA :: 59.889 CB :: 64.511 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.754 HA :: 4.514 HB3 :: 4.030 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.561 Ave N Shift Values>> N :: 116.3(3.95) I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.45 A 0.01 C Shift Assignments>> C :: 176.244 CA :: 58.675 CB :: 38.350 CG1 :: 27.469 CG2 :: 18.577 CD1 :: 11.042 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.388 HA :: 5.156 HB :: 1.949 HG2 :: 0.681 HG12 :: 1.481 HG13 :: 1.577 HD1 :: 0.805 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.609 Ave N Shift Values>> N :: 121.6(4.72) V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.26 M 0.08 I 0.04 C Shift Assignments>> C :: 173.753 CA :: 60.240 CB :: 36.043 CG2 :: 21.338 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.064 HA :: 4.613 HB :: 1.781 HG2 :: 0.684 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.473 Ave N Shift Values>> N :: 121.02(4.96) F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 Y 0.37 C 0.23 C Shift Assignments>> C :: 175.591 CA :: 56.945 CB :: 41.633 CD1 :: 131.776 CE1 :: 131.439 CZ :: 129.594 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.836 HA :: 5.257 HB2 :: 2.955 HB3 :: 3.059 HD1 :: 7.228 HD2 :: 7.228 HE1 :: 7.408 HE2 :: 7.408 HZ :: 7.350 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.690 Ave N Shift Values>> N :: 120.69(4.18) W70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.56 H 0.39 F 0.02 Y 0.02 C Shift Assignments>> CA :: 54.486 CD1 :: 124.742 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.280 HA :: 5.455 HB2 :: 3.095 HB3 :: 3.353 HD1 :: 7.259 HE1 :: 8.323(S) Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.030 NE1 :: 124.603 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.18 N 0.15 C 0.11 K 0.09 F 0.06 Y 0.05 R 0.02 C Shift Assignments>> C :: 173.775 CA :: 53.176 CB :: 41.176 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.982 HA :: 5.657 HB3 :: 2.862 HD21 :: 6.894 HD22 :: 7.746 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.546 ND2 :: 112.627 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Y72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.47 HN Overlap>> L163 C Shift Assignments>> C :: 172.502 CA :: 56.107 CB :: 39.459 CD1 :: 134.073 CE1 :: 117.555 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.419 HA :: 5.064 HB2 :: 2.847 HB3 :: 2.954 HD1 :: 6.898 HD2 :: 6.898 HE1 :: 6.672 HE2 :: 6.672 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.087 Ave N Shift Values>> N :: 120.79(4.69) V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 175.335 CA :: 61.432 CB :: 33.779 CG1 :: 21.232 CG2 :: 21.232 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.474 HA :: 4.702 HB :: 1.922 HG1 :: 0.740 HG2 :: 0.868 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.874 Ave N Shift Values>> N :: 121.02(4.96) H74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 H 0.24 W 0.15 Y 0.03 C Shift Assignments>> C :: 174.940 CA :: 54.961 CB :: 33.613 CD2 :: 118.983 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.718 HA :: 5.091 HB2 :: 2.953 HB3 :: 3.294 HD2 :: 7.209 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 124.603 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 N 0.18 C 0.17 Y 0.16 F 0.14 L 0.08 I 0.01 E 0.01 K 0.01 C Shift Assignments>> C :: 176.151 CA :: 55.133 CB :: 39.405 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.275 HA :: 4.159 HB2 :: 2.152 HB3 :: 2.883 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 130.183 Ave N Shift Values>> N :: 120.73(4.2) G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.761 CA :: 45.627 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.250 HA2 :: 4.160 HA3 :: 3.525 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.351 Ave N Shift Values>> N :: 109.91(4.29) E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.26 E 0.2 Q 0.01 C Shift Assignments>> C :: 174.558 CA :: 54.874 CB :: 32.802 CG :: 36.364 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.794 HA :: 4.624 HB2 :: 2.062 HB3 :: 1.997 HG2 :: 2.337 HG3 :: 2.212 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.004 Ave N Shift Values>> N :: 120.68(3.68) A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.25 C 0.02 C Shift Assignments>> C :: 176.915 CA :: 53.035 CB :: 19.015 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.544 HA :: 4.450 HB :: 1.411 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.172 Ave N Shift Values>> N :: 123.23(3.7) K79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 R 0.27 K 0.2 G 0.09 M 0.01 C Shift Assignments>> C :: 175.719 CA :: 53.918 CB :: 35.720 CG :: 25.042 CD :: 29.249 CE :: 43.194 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.868 HA :: 4.628 HB2 :: 0.152(S) HB3 :: 1.289 HG3 :: 1.236 HD2 :: 1.511 HD3 :: 1.688 HE2 :: 2.932 HE3 :: 3.074 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.573 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.36 HN Overlap>> H143 C Shift Assignments>> C :: 175.866 CA :: 60.472 CB :: 36.364 CG1 :: 21.094 CG2 :: 21.511 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.698 HA :: 5.454 HB :: 2.097 HG1 :: 1.060 HG2 :: 1.070 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.488 Ave N Shift Values>> N :: 121.02(4.96) A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 L 0.27 M 0.16 C 0.11 K 0.01 C Shift Assignments>> C :: 175.126 CA :: 52.222 CB :: 21.975 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.394 HA :: 5.143 HB :: 1.778 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.898 Ave N Shift Values>> N :: 123.23(3.7) K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.32 Q 0.05 M 0.05 E 0.02 I 0.02 R 0.01 C Shift Assignments>> C :: 175.109 CA :: 55.558 CB :: 35.272 CG :: 25.141 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.778 HA :: 4.707 HB2 :: 1.731 HB3 :: 1.581 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.102 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.35 E 0.13 Q 0.03 C Shift Assignments>> C :: 173.270 CA :: 53.829 CB :: 32.978 CG :: 35.615 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.212 HA :: 4.601 HB2 :: 1.793 HB3 :: 1.793 HG2 :: 2.153 HG3 :: 2.045 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.389 Ave N Shift Values>> N :: 120.68(3.68) R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 G 0.31 R 0.08 K 0.07 C Shift Assignments>> C :: 176.725 CA :: 53.815 CB :: 34.874 CG :: 27.938 CD :: 43.977 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.230 HA :: 5.442 HB2 :: 1.489 HB3 :: 1.867 HG3 :: 1.493 HD3 :: 3.258 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.178 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 176.346 CA :: 63.679 CB :: 37.663 CG1 :: 28.602 CG2 :: 17.941 CD1 :: 13.400 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.795 HA :: 3.866 HB :: 1.960 HG2 :: 0.573 HG12 :: 0.718 HG13 :: 1.643 HD1 :: 0.811 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.329 Ave N Shift Values>> N :: 121.6(4.72) E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.31 M 0.2 I 0.02 Q 0.01 C Shift Assignments>> C :: 176.743 CA :: 56.996 CB :: 32.202 CG :: 36.471 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.064 HA :: 4.644 HB2 :: 1.561 HB3 :: 2.102 HG2 :: 2.219 HG3 :: 2.327 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 130.504 Ave N Shift Values>> N :: 120.68(3.68) A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 L 0.25 M 0.19 C 0.1 K 0.01 HN Overlap>> F32 C Shift Assignments>> C :: 174.723 CA :: 52.618 CB :: 21.813 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.697 HA :: 4.491 HB :: 1.340 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.371 Ave N Shift Values>> N :: 123.23(3.7) V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.43 C Shift Assignments>> C :: 174.047 CA :: 61.582 CB :: 35.703 CG1 :: 20.754 CG2 :: 20.940 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.600 HA :: 4.737 HB :: 2.039 HG2 :: 0.945 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.792 Ave N Shift Values>> N :: 121.02(4.96) E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.25 M 0.24 Q 0.02 K 0.02 C Shift Assignments>> C :: 175.126 CA :: 53.520 CB :: 31.447 CG :: 36.380 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.844 HA :: 4.945 HB2 :: 2.007 HB3 :: 2.007 HG2 :: 2.140 HG3 :: 2.203 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.483 Ave N Shift Values>> N :: 120.68(3.68) P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 178.861 CA :: 65.749 CB :: 32.526 CG :: 27.631 CD :: 51.122 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.534 HB2 :: 1.945 HB3 :: 2.032 HG2 :: 1.682 HG3 :: 2.182 HD2 :: 3.509 HD3 :: 3.946 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.2 C 0.17 D 0.14 L 0.1 N 0.05 K 0.04 I 0.03 C Shift Assignments>> C :: 177.091 CA :: 56.507 CB :: 39.926 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.852 HA :: 4.496 HB2 :: 2.733 HB3 :: 2.795 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.902 Ave N Shift Values>> N :: 120.73(4.2) K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.35 R 0.21 M 0.02 G 0.01 C Shift Assignments>> C :: 175.491 CA :: 55.106 CB :: 34.496 CG :: 25.081 CD :: 29.480 CE :: 42.219 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.526 HA :: 4.595 HB2 :: 2.017 HB3 :: 1.621 HG2 :: 1.362 HG3 :: 1.445 HD2 :: 1.680 HD3 :: 1.749 HE3 :: 2.987 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.855 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 C 0.2 D 0.14 Y 0.13 F 0.1 E 0.03 L 0.03 M 0.01 I 0.01 C Shift Assignments>> C :: 172.372 CA :: 54.411 CB :: 38.413 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.112 HA :: 4.593 HB2 :: 3.467 HB3 :: 3.467 HD21 :: 6.899 HD22 :: 7.371 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.658 ND2 :: 108.987 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 G 0.15 L 0.12 C Shift Assignments>> C :: 175.079 CA :: 54.738 CB :: 47.716 CG :: 27.307 CD1 :: 26.568 CD2 :: 24.939 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.124 HA :: 5.725 HB2 :: 1.362 HB3 :: 1.652 HG :: 1.533 HD1 :: 0.774 HD2 :: 0.711 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.167 Ave N Shift Values>> N :: 121.98(4.07) I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.36 G 0.04 C Shift Assignments>> C :: 172.760 CA :: 61.040 CB :: 42.515 CG1 :: 27.631 CG2 :: 17.283 CD1 :: 14.371 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.023 HA :: 4.774 HB :: 1.826 HG2 :: 0.844 HG12 :: 0.449 HG13 :: 1.714 HD1 :: 0.447 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.857 Ave N Shift Values>> N :: 121.6(4.72) T96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> L19 D55 C Shift Assignments>> C :: 173.956 CA :: 61.868 CB :: 71.346 CG2 :: 22.120 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.634 HA :: 5.508 HB :: 3.737 HG2 :: 1.198 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 123.104 Ave N Shift Values>> N :: 115.7(5.05) F97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 F 0.25 Y 0.23 G 0.22 C Shift Assignments>> C :: 174.209 CA :: 56.082 CB :: 43.771 CD1 :: 132.306 CZ :: 129.792 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 10.098 HA :: 5.444 HB2 :: 2.650 HB3 :: 2.848 HD1 :: 6.840 HD2 :: 6.840 HZ :: 7.219 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.674 Ave N Shift Values>> N :: 120.69(4.18) R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.21 R 0.13 G 0.13 C Shift Assignments>> C :: 174.396 CA :: 54.973 CB :: 34.487 CG :: 28.320 CD :: 43.504 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.389 HA :: 5.251 HB2 :: 1.872 HB3 :: 1.872 HG2 :: 1.415 HG3 :: 1.791 HD2 :: 3.493 HD3 :: 3.021 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.539 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 175.119 CA :: 64.618 CB :: 31.987 CG1 :: 22.210 CG2 :: 22.216 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.698 HA :: 4.146 HB :: 2.264 HG1 :: 0.958 HG2 :: 0.962 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.962 Ave N Shift Values>> N :: 121.02(4.96) I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 176.531 CA :: 61.483 CB :: 40.094 CG1 :: 26.652 CG2 :: 18.219 CD1 :: 13.406 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.064 HA :: 4.733 HB :: 2.002 HG2 :: 0.989 HG12 :: 1.089 HG13 :: 1.327 HD1 :: 0.839 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.602 Ave N Shift Values>> N :: 121.6(4.72) E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 E 0.01 M 0.01 C Shift Assignments>> C :: 174.053 CA :: 56.333 CB :: 35.636 CG :: 37.649 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.978 HA :: 4.664 HB2 :: 2.043 HB3 :: 2.146 HG2 :: 2.442 HG3 :: 2.340 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.585 Ave N Shift Values>> N :: 120.68(3.68) G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.28 R 0.26 L 0.25 C 0.1 F 0.03 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 175.651 CA :: 44.111 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.695 HA2 :: 5.171 HA3 :: 4.031 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.148 Ave N Shift Values>> N :: 109.91(4.29) D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 K 0.18 C 0.16 Y 0.14 R 0.12 L 0.07 I 0.07 D 0.01 C Shift Assignments>> C :: 180.002 CA :: 59.523 CB :: 41.936 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.755 HA :: 4.316 HB2 :: 2.679 HB3 :: 2.679 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.566 Ave N Shift Values>> N :: 120.73(4.2) L104 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.47 C 0.33 R 0.1 G 0.08 C Shift Assignments>> C :: 179.405 CA :: 58.375 CB :: 43.266 CG :: 27.203 CD1 :: 24.939 CD2 :: 23.073 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.348 HA :: 4.054 HB2 :: 0.981 HB3 :: 1.274 HG :: 1.273 HD1 :: -0.389(S) HD2 :: 0.155 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.709 Ave N Shift Values>> N :: 121.98(4.07) M105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 M 0.35 A 0.24 C Shift Assignments>> C :: 177.716 CA :: 55.115 CB :: 30.390 CG :: 33.231 CE :: 17.606 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.762 HA :: 5.267 HB2 :: 2.354 HB3 :: 2.499 HG2 :: 2.536 HG3 :: 2.536 HE :: 1.979 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 114.393 Ave N Shift Values>> N :: 120.1(3.88) K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.31 K 0.29 G 0.02 M 0.01 C Shift Assignments>> C :: 176.929 CA :: 58.031 CB :: 32.936 CG :: 26.081 CD :: 29.651 CE :: 42.613 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.648 HA :: 4.258 HB2 :: 1.997 HB3 :: 1.997 HG2 :: 1.568 HG3 :: 1.661 HD2 :: 1.826 HD3 :: 1.826 HE2 :: 3.116 HE3 :: 3.061 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.668 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 E 0.07 M 0.07 C Shift Assignments>> C :: 174.964 CA :: 57.414 CB :: 34.555 CG :: 37.014 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.420 HA :: 4.216 HB2 :: 1.695 HB3 :: 1.412 HG2 :: 2.031 HG3 :: 2.031 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.785 Ave N Shift Values>> N :: 120.68(3.68) Y108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 HN Overlap>> H34 C Shift Assignments>> C :: 174.440 CA :: 57.916 CB :: 40.938 CD1 :: 134.002 CE1 :: 118.025 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.848 HA :: 5.091 HB2 :: 2.607 HB3 :: 3.500 HD1 :: 7.152 HD2 :: 7.152 HE1 :: 6.292 HE2 :: 6.292 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.660 Ave N Shift Values>> N :: 120.79(4.69) K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.34 R 0.23 M 0.01 G 0.01 HN Overlap>> E133 C Shift Assignments>> C :: 176.985 CA :: 56.951 CB :: 34.825 CG :: 25.081 CD :: 29.384 CE :: 42.362 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.839 HA :: 4.392 HB3 :: 1.735 HG2 :: 1.418 HG3 :: 1.418 HD2 :: 1.777 HD3 :: 1.705 HE2 :: 3.042 HE3 :: 3.074 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.321 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.499 CA :: 57.270 CB :: 65.152 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.681 HA :: 4.704 HB2 :: 3.802 HB3 :: 3.802 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.754 Ave N Shift Values>> N :: 116.3(3.95) F111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.24 C 0.2 G 0.1 C Shift Assignments>> C :: 172.295 CA :: 59.987 CB :: 43.330 CD1 :: 131.323 CE1 :: 130.778 CZ :: 129.154 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.373 HA :: 4.758 HB2 :: 2.448 HB3 :: 3.290 HD1 :: 6.719 HD2 :: 6.719 HE1 :: 6.600 HE2 :: 6.600 HZ :: 6.711 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 129.514 Ave N Shift Values>> N :: 120.69(4.18) L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 G 0.32 L 0.16 C Shift Assignments>> C :: 174.640 CA :: 54.200 CB :: 46.932 CG :: 27.640 CD1 :: 25.367 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.917 HA :: 5.322 HB2 :: 1.713 HB3 :: 1.599 HG :: 1.630 HD1 :: 0.874 HD2 :: 0.900 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 131.949 Ave N Shift Values>> N :: 121.98(4.07) L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 G 0.46 R 0.01 C Shift Assignments>> C :: 174.747 CA :: 54.160 CB :: 46.502 CG :: 26.636 CD1 :: 28.414 CD2 :: 28.366 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.584 HA :: 5.753 HB2 :: 2.061 HB3 :: 2.061 HG :: 2.349 HD1 :: 1.257 HD2 :: 1.231 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.753 Ave N Shift Values>> N :: 121.98(4.07) T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 174.155 CA :: 62.009 CB :: 72.187 CG2 :: 21.945 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.641 HA :: 5.607 HB :: 4.052 HG2 :: 1.199 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.950 Ave N Shift Values>> N :: 115.7(5.05) I115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.45 G 0.02 C Shift Assignments>> C :: 174.162 CA :: 59.192 CB :: 42.134 CG1 :: 26.660 CG2 :: 17.227 CD1 :: 14.371 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.145 HA :: 5.086 HB :: 1.225 HG2 :: -0.038 HG12 :: 1.503 HG13 :: 0.573 HD1 :: 0.671 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.636 Ave N Shift Values>> N :: 121.6(4.72) Q116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.35 Q 0.12 E 0.07 K 0.01 HN Overlap>> V43 C Shift Assignments>> CA :: 54.434 CB :: 32.522 CG :: 34.079 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.152 HA :: 5.716 HB2 :: 1.901 HB3 :: 2.120 HG2 :: 2.210 HG3 :: 2.653 HE21 :: 6.932 HE22 :: 7.819 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.887 NE2 :: 111.343 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.31 C Shift Assignments>> C :: 175.588 CA :: 61.893 CB :: 34.487 CG1 :: 21.165 CG2 :: 20.857 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.729 HA :: 5.165 HB :: 1.446 HG1 :: 0.642 HG2 :: -0.042 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.319 Ave N Shift Values>> N :: 121.02(4.96) T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 C 0.29 A 0.01 C Shift Assignments>> C :: 175.655 CA :: 58.527 CB :: 71.038 CG2 :: 22.083 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.852 HA :: 5.080 HB :: 4.389 HG2 :: 1.311 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.291 Ave N Shift Values>> N :: 115.7(5.05) P119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.18 C Shift Assignments>> C :: 177.014 CA :: 63.418 CB :: 32.508 CG :: 27.795 CD :: 51.095 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.762 HB2 :: 2.614 HB3 :: 1.948 HG2 :: 2.078 HG3 :: 2.208 HD3 :: 3.796 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.46 M 0.04 C Shift Assignments>> C :: 175.126 CA :: 55.004 CB :: 33.195 CG :: 25.660 CD :: 29.896 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.283 HA :: 4.400 HB2 :: 1.361 HB3 :: 1.813 HG2 :: 1.282 HD2 :: 1.559 HD3 :: 1.559 HE3 :: 2.907 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.383 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 178.706 CA :: 64.005 CB :: 31.508 CG :: 27.795 CD :: 51.065 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.501 HB2 :: 2.359 HB3 :: 2.016 HG2 :: 2.078 HG3 :: 2.209 HD2 :: 4.017 HD3 :: 3.744 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) G122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 174.302 CA :: 45.750 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.539 HA3 :: 4.001 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.077 Ave N Shift Values>> N :: 109.91(4.29) G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 169.784 CA :: 45.361 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.575 HA2 :: 4.343 HA3 :: 4.059 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.051 Ave N Shift Values>> N :: 109.91(4.29) P124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 177.281 CA :: 63.271 CB :: 33.068 CG :: 27.307 CD :: 49.633 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.715 HB2 :: 2.381 HB3 :: 2.173 HG2 :: 2.049 HG3 :: 2.096 HD2 :: 3.648 HD3 :: 3.648 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) G125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 175.191 CA :: 44.493 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.462 HA2 :: 4.516 HA3 :: 3.858 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.890 Ave N Shift Values>> N :: 109.91(4.29) S126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.65 S 0.34 C Shift Assignments>> C :: 171.727 CA :: 58.867 CB :: 67.219 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.226 HA :: 5.258 HB2 :: 3.707 HB3 :: 3.381 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.019 Ave N Shift Values>> N :: 116.3(3.95) I127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 175.234 CA :: 60.018 CB :: 39.804 CG1 :: 27.795 CG2 :: 18.084 CD1 :: 12.724 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.226 HA :: 4.455 HB :: 1.703 HG2 :: 0.591 HG12 :: 1.136 HG13 :: 1.479 HD1 :: 0.909 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.950 Ave N Shift Values>> N :: 121.6(4.72) V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 HN Overlap>> H129 C Shift Assignments>> C :: 175.285 CA :: 61.595 CB :: 32.122 CG1 :: 21.783 CG2 :: 22.082 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.422 HA :: 4.234 HB :: 2.367 HG1 :: 0.863 HG2 :: 0.251 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.239 Ave N Shift Values>> N :: 121.02(4.96) H129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 W 0.35 C 0.25 HN Overlap>> V128 C Shift Assignments>> C :: 174.874 CA :: 55.220 CB :: 29.690 CD2 :: 121.082 CE1 :: 136.448 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.397 HA :: 5.508 HB2 :: 3.337 HB3 :: 3.337 HD2 :: 7.273 HE1 :: 8.602 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 127.239 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) W130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.47 C Shift Assignments>> C :: 176.195 CA :: 57.257 CB :: 31.514 CD1 :: 125.646 CE3 :: 120.483 CZ2 :: 114.045 CZ3 :: 122.120 CH2 :: 123.791 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.364 HA :: 4.976 HB2 :: 3.265 HB3 :: 3.130 HD1 :: 7.147 HE1 :: 8.559 HE3 :: 7.512 HZ2 :: 7.126 HZ3 :: 7.082 HH2 :: 6.528 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 127.386 NE1 :: 125.285 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) H131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 C 0.32 W 0.31 C Shift Assignments>> C :: 173.701 CA :: 55.756 CB :: 31.514 CD2 :: 120.782 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.088 HA :: 5.447 HB2 :: 3.402 HB3 :: 3.229 HD2 :: 7.145 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.816 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 G 0.28 L 0.26 R 0.15 HN Overlap>> K136 C Shift Assignments>> C :: 175.962 CA :: 53.922 CB :: 43.977 CG :: 25.938 CD1 :: 26.337 CD2 :: 27.307 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.593 HA :: 5.289 HB2 :: 1.384 HB3 :: 1.886 HG :: 1.259 HD2 :: 1.051 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.721 Ave N Shift Values>> N :: 121.98(4.07) E133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.25 E 0.24 Q 0.01 HN Overlap>> K109 C Shift Assignments>> C :: 174.688 CA :: 55.662 CB :: 32.663 CG :: 36.364 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.820 HA :: 4.767 HB3 :: 1.850 HG2 :: 2.091 HG3 :: 2.091 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.254 Ave N Shift Values>> N :: 120.68(3.68) Y134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 Y 0.42 G 0.08 C Shift Assignments>> C :: 173.836 CA :: 55.127 CB :: 42.648 CD1 :: 133.912 CE1 :: 117.033 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.022 HA :: 5.255 HB2 :: 1.961 HB3 :: 2.829 HD1 :: 6.432 HD2 :: 6.432 HE1 :: 6.408 HE2 :: 6.408 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.566 Ave N Shift Values>> N :: 120.79(4.69) E135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.22 E 0.16 C Shift Assignments>> C :: 177.199 CA :: 55.120 CB :: 33.357 CG :: 36.571 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.307 HA :: 5.250 HB2 :: 1.993 HB3 :: 2.059 HG2 :: 2.241 HG3 :: 2.241 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.996 Ave N Shift Values>> N :: 120.68(3.68) K136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.4 K 0.13 G 0.02 M 0.01 HN Overlap>> L132 C Shift Assignments>> C :: 176.339 CA :: 57.822 CB :: 35.162 CG :: 26.510 CD :: 30.508 CE :: 42.773 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.698 HA :: 4.502 HB3 :: 1.875 HG2 :: 1.441 HG3 :: 2.034 HD2 :: 1.829 HD3 :: 1.868 HE2 :: 3.233 HE3 :: 2.938 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.748 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 175.914 CA :: 65.879 CB :: 39.419 CG1 :: 30.223 CG2 :: 16.877 CD1 :: 13.615 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.567 HA :: 3.725 HB :: 1.387 HG2 :: 0.915 HG12 :: 0.933 HG13 :: 1.312 HD1 :: 0.690 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.432 Ave N Shift Values>> N :: 121.6(4.72) S138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 173.909 CA :: 56.963 CB :: 65.768 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.209 HA :: 4.513 HB2 :: 4.257 HB3 :: 4.048 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 108.452 Ave N Shift Values>> N :: 116.3(3.95) E139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.13 K 0.06 M 0.05 Q 0.03 C Shift Assignments>> C :: 177.985 CA :: 58.898 CB :: 30.096 CG :: 36.221 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.210 HA :: 4.216 HB2 :: 2.063 HB3 :: 2.141 HG3 :: 2.395 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.495 Ave N Shift Values>> N :: 120.68(3.68) E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.14 C 0.13 R 0.13 H 0.1 Q 0.09 K 0.07 I 0.05 M 0.04 V 0.03 C Shift Assignments>> C :: 177.840 CA :: 58.740 CB :: 30.224 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.380 HA :: 4.401 HB2 :: 2.162 HB3 :: 2.010 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.491 Ave N Shift Values>> N :: 120.68(3.68) V141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 174.764 CA :: 62.464 CB :: 33.474 CG1 :: 23.368 CG2 :: 21.374 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.070 HA :: 4.234 HB :: 2.188 HG1 :: 0.894 HG2 :: 0.969 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 112.841 Ave N Shift Values>> N :: 121.02(4.96) A142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.13 C 0.05 L 0.04 C Shift Assignments>> C :: 176.930 CA :: 51.524 CB :: 20.704 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.989 HA :: 4.408 HB :: 1.294 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.940 Ave N Shift Values>> N :: 123.23(3.7) H143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.43 W 0.33 C 0.22 HN Overlap>> V80 C Shift Assignments>> C :: 173.613 CA :: 53.829 CB :: 29.249 CD2 :: 120.782 CE1 :: 136.983 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.600 HA :: 5.211 HB2 :: 3.248 HB3 :: 3.300 HD2 :: 7.145 HE1 :: 8.251 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.488 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) P144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 177.922 CA :: 65.055 CB :: 31.651 CG :: 27.866 CD :: 50.585 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.324 HB2 :: 2.005 HB3 :: 2.104 HG2 :: 1.997 HG3 :: 2.235 HD2 :: 3.901 HD3 :: 3.450 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) E145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 I 0.26 E 0.22 K 0.08 Q 0.03 C Shift Assignments>> C :: 178.772 CA :: 59.583 CB :: 27.866 CG :: 36.043 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 10.203 HA :: 4.379 HB2 :: 2.238 HB3 :: 2.238 HG2 :: 2.385 HG3 :: 2.611 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.709 Ave N Shift Values>> N :: 120.68(3.68) T146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.938 CA :: 63.757 CB :: 69.147 CG2 :: 22.082 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.234 HA :: 4.528 HB :: 4.527 HG2 :: 1.330 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.948 Ave N Shift Values>> N :: 115.7(5.05) L147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.35 R 0.17 G 0.01 C Shift Assignments>> C :: 179.064 CA :: 57.462 CB :: 42.061 CG :: 27.640 CD1 :: 25.665 CD2 :: 22.466 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.803 HA :: 4.145 HB2 :: 1.218 HB3 :: 2.008 HG :: 1.622 HD1 :: 0.502 HD2 :: 0.549 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.690 Ave N Shift Values>> N :: 121.98(4.07) L148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.43 R 0.05 C Shift Assignments>> C :: 179.101 CA :: 59.362 CB :: 41.293 CG :: 27.605 CD1 :: 25.042 CD2 :: 24.219 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.884 HA :: 3.905 HB2 :: 1.725 HB3 :: 1.809 HG :: 1.714 HD1 :: 1.025 HD2 :: 0.954 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.174 Ave N Shift Values>> N :: 121.98(4.07) Q149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.21 K 0.21 E 0.14 I 0.05 R 0.05 M 0.01 C Shift Assignments>> C :: 177.819 CA :: 58.849 CB :: 28.123 CG :: 34.340 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.665 HA :: 4.004 HB2 :: 2.276 HB3 :: 2.276 HG2 :: 2.614 HG3 :: 2.614 HE21 :: 7.013 HE22 :: 7.746 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.828 NE2 :: 111.744 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.35 C 0.23 C Shift Assignments>> C :: 175.646 CA :: 61.340 CB :: 38.413 CD1 :: 131.961 CE1 :: 130.592 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.445 HA :: 4.110 HB2 :: 3.073 HB3 :: 3.311 HD1 :: 6.804 HD2 :: 6.804 HE1 :: 6.832 HE2 :: 6.832 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.977 Ave N Shift Values>> N :: 120.69(4.18) C151 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.45 P 0.33 C 0.1 R 0.03 W 0.02 K 0.01 V 0.01 C Shift Assignments>> C :: 178.631 CA :: 62.421 CB :: 26.042 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.249 HA :: 2.173(S) HB2 :: 0.548(S) HB3 :: 2.431 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.053 Ave N Shift Values>> N :: 119.95(4.79) V152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> C :: 178.156 CA :: 67.798 CB :: 32.595 CG1 :: 23.101 CG2 :: 21.232 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.721 HA :: 3.486 HB :: 2.273 HG1 :: 1.073 HG2 :: 1.036 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.412 Ave N Shift Values>> N :: 121.02(4.96) E153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.24 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 180.850 CA :: 59.666 CB :: 29.285 CG :: 36.396 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.584 HA :: 4.111 HB2 :: 2.237 HB3 :: 2.237 HG2 :: 2.659 HG3 :: 2.792 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.682 Ave N Shift Values>> N :: 120.68(3.68) V154 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.860 CA :: 66.861 CB :: 30.781 CG1 :: 21.517 CG2 :: 23.009 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.331 HA :: 3.475 HB :: 1.329 HG1 :: 0.031 HG2 :: -0.203(S) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.344 Ave N Shift Values>> N :: 121.02(4.96) S155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.54 T 0.45 C Shift Assignments>> C :: 174.992 CA :: 64.741 CB :: 64.253 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.849 HA :: 4.306 HB2 :: 3.731 HB3 :: 3.731 HG :: 5.245 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.035 Ave N Shift Values>> N :: 116.3(3.95) K156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.36 R 0.2 G 0.02 M 0.01 HN Overlap>> K31 C Shift Assignments>> C :: 178.799 CA :: 59.869 CB :: 32.798 CG :: 25.075 CD :: 29.713 CE :: 42.460 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.709 HA :: 4.285 HB2 :: 2.107 HB3 :: 2.107 HG2 :: 1.538 HG3 :: 1.747 HD2 :: 1.551 HD3 :: 1.825 HE2 :: 3.092 HE3 :: 3.092 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.188 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.24 K 0.17 Q 0.16 I 0.07 M 0.03 R 0.01 C Shift Assignments>> C :: 180.318 CA :: 58.945 CB :: 29.150 CG :: 34.936 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.363 HA :: 4.364 HB2 :: 2.344 HB3 :: 2.344 HG2 :: 2.761 HG3 :: 2.761 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.023 Ave N Shift Values>> N :: 120.68(3.68) I158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.46 C Shift Assignments>> C :: 177.691 CA :: 66.528 CB :: 38.879 CG1 :: 29.509 CG2 :: 13.706 CD1 :: 17.067 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.486 HA :: 3.734 HB :: 2.146 HG2 :: 0.809 HG12 :: 1.036 HG13 :: 1.911 HD1 :: 1.005 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.191 Ave N Shift Values>> N :: 121.6(4.72) D159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 L 0.18 K 0.17 C 0.12 F 0.11 Y 0.07 D 0.04 G 0.01 I 0.01 C Shift Assignments>> C :: 178.632 CA :: 57.627 CB :: 42.662 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.340 HA :: 4.632 HB2 :: 2.893 HB3 :: 3.004 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.692 Ave N Shift Values>> N :: 120.73(4.2) E160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 I 0.27 K 0.03 M 0.02 C Shift Assignments>> C :: 179.874 CA :: 59.677 CB :: 29.832 CG :: 36.961 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.299 HA :: 4.017 HB2 :: 2.065 HB3 :: 2.158 HG2 :: 2.401 HG3 :: 2.568 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.527 Ave N Shift Values>> N :: 120.68(3.68) H161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.4 H 0.3 C 0.29 C Shift Assignments>> C :: 177.437 CA :: 59.181 CB :: 29.882 CD2 :: 121.832 CE1 :: 137.668 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.093 HA :: 4.538 HB2 :: 3.431 HB3 :: 3.431 HD2 :: 7.406 HE1 :: 8.348 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.016 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.37 R 0.15 G 0.02 C Shift Assignments>> C :: 179.331 CA :: 57.417 CB :: 42.452 CG :: 26.619 CD1 :: 23.193 CD2 :: 26.652 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.364 HA :: 4.157 HB2 :: 1.350 HB3 :: 2.150 HG :: 2.098 HD1 :: 0.815 HD2 :: 0.875 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.889 Ave N Shift Values>> N :: 121.98(4.07) L163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.29 R 0.13 A 0.01 G 0.01 HN Overlap>> Y72 C Shift Assignments>> C :: 177.877 CA :: 56.130 CB :: 42.232 CG :: 26.899 CD1 :: 26.367 CD2 :: 23.003 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.331 HA :: 4.274 HB2 :: 1.597 HB3 :: 1.844 HG :: 1.951 HD1 :: 0.873 HD2 :: 0.836 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.033 Ave N Shift Values>> N :: 121.98(4.07) A164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.25 C 0.03 L 0.01 C Shift Assignments>> C :: 177.865 CA :: 53.205 CB :: 19.691 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.266 HA :: 4.346 HB :: 1.509 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.244 Ave N Shift Values>> N :: 123.23(3.7) E165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.36 M 0.17 K 0.03 I 0.03 Q 0.03 C Shift Assignments>> C :: 175.847 CA :: 56.428 CB :: 31.190 CG :: 36.367 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.883 HA :: 4.357 HB2 :: 1.978 HB3 :: 2.131 HG2 :: 2.339 HG3 :: 2.339 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.679 Ave N Shift Values>> N :: 120.68(3.68) E166 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.31 K 0.11 R 0.05 Q 0.04 C Shift Assignments>> C :: 181.500 CA :: 58.589 CB :: 31.312 CG :: 31.264 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.030 HA :: 4.170 HB2 :: 1.962 HB3 :: 2.109 HG2 :: 2.495 HG3 :: 1.896 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.159 Ave N Shift Values>> N :: 120.68(3.68) SRO Rule Breaks>> (CG > CB : 0.9917) ########################################################################### Overall Results: #Consistent: 158 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 157 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 165 #Suspicious: 1 C Shift Results: #Consistent: 665 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 865 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 156 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: D22 HA = 6.092(S), Expected = 4.61, Std = 0.3100, ChiSquare = 1.7473e-06 K26 H = 10.588(S), Expected = 8.22, Std = 0.6400, ChiSquare = 2.1560e-04 W70 HE1 = 8.323(S), Expected = 10.13, Std = 0.5300, ChiSquare = 6.5098e-04 K79 HB2 = 0.152(S), Expected = 1.79, Std = 0.2500, ChiSquare = 5.6772e-11 L104 HD1 = -0.389(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.7660e-05 C151 HA = 2.173(S), Expected = 4.73, Std = 0.5700, ChiSquare = 7.2585e-06 C151 HB2 = 0.548(S), Expected = 2.95, Std = 0.4300, ChiSquare = 2.3230e-08 V154 HG2 = -0.203(S), Expected = 0.83, Std = 0.2900, ChiSquare = 3.6794e-04 E166 SRO Rule Break>> CG > CB : 0.99165623696287